Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry

Riccardo Petraglia, Adrien Nicolaï, Matthew D. Wodrich, Michele Ceriotti, Clemence Corminboeuf. Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry. Journal of Computational Chemistry, 37(1):83-92, 2016. [doi]

Authors

Riccardo Petraglia

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Adrien Nicolaï

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Matthew D. Wodrich

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Michele Ceriotti

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Clemence Corminboeuf

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